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Information card for entry 7039355
Preview
| Coordinates | 7039355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | no |
|---|---|
| Chemical name | phenyl substituted tin(IV) phthalocyanine cation with tetraphenylborate anion |
| Formula | C68 H55 B N8 Sn |
| Calculated formula | C68 H55 B N8 Sn |
| SMILES | c12=Nc3c4c(c5=Nc6c7c(c8n6[Sn]6(c9ccccc9)(n2c(=Nc2c9c(c(=N8)[n]62)cccc9)c2c1cccc2)[n]35)cccc7)cccc4.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CCCCCC |
| Title of publication | SnPhPc phthalocyanines with dianion Pc(2-) and radical trianion Pc˙(3-) macrocycles: syntheses, structures, and properties. |
| Authors of publication | Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10780 - 10788 |
| a | 13.6897 ± 0.0004 Å |
| b | 14.4413 ± 0.0004 Å |
| c | 14.676 ± 0.0004 Å |
| α | 109.063 ± 0.002° |
| β | 92.219 ± 0.002° |
| γ | 96.715 ± 0.002° |
| Cell volume | 2714.32 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7039355.cif |
| 185334 | 2016-08-07 | cif/ Updating files of 7039354, 7039355 Original log message: Adding full bibliography for 7039354--7039355.cif. |
7039355.cif |
| 183195 | 2016-06-01 | cif/ Adding structures of 7039354, 7039355 via cif-deposit CGI script. |
7039355.cif |
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